4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide

C16H10ClIN2O — CID 63483680

IUPAC4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C16H10ClIN2O/c17-13-9-15(20-14-7-2-1-6-12(13)14)16(21)19-11-5-3-4-10(18)8-11/h1-9H,(H,19,21)
InChIKeyLPBMSGJRZUKTLE-UHFFFAOYSA-N
MW408.63 g/mol
LogP4.75
Rot. Bonds2

About 4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide

4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide (PubChem CID 63483680) has the molecular formula C16H10ClIN2O and a molecular weight of 408.63 g/mol. Its IUPAC name is 4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide
PubChem CID63483680
Molecular FormulaC16H10ClIN2O
Molecular Weight408.63 g/mol
Exact Mass407.95
IUPAC Name4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C16H10ClIN2O/c17-13-9-15(20-14-7-2-1-6-12(13)14)16(21)19-11-5-3-4-10(18)8-11/h1-9H,(H,19,21)
InChIKeyLPBMSGJRZUKTLE-UHFFFAOYSA-N
XLogP4.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-pyridin-3-ylquinoline-2-carboxamide
CID 63376160
6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347
6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide
CID 103336801
1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449917
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
4-amino-N-(3-bromophenyl)quinoline-2-carboxamide
CID 63375115
1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81165272
4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
CID 65038366
2-[(4-chloroquinoline-2-carbonyl)amino]oxyacetic acid
CID 63914484
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166666
N-but-2-ynyl-4-chloroquinoline-2-carboxamide
CID 113464582

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide (CID 63483680) is 4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide is O=C(Nc1cccc(I)c1)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide?
The InChIKey is LPBMSGJRZUKTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClIN2O/c17-13-9-15(20-14-7-2-1-6-12(13)14)16(21)19-11-5-3-4-10(18)8-11/h1-9H,(H,19,21).
What are the key properties of 4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide?
4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide has a molecular weight of 408.63 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide is sourced from PubChem (CID 63483680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).